N-(1,3-diphenylpropan-2-ylidene)hydroxylamine

• ChemBase ID: 301874
• Molecular Formular: C15H15NO
• Molecular Mass: 225.2857
• Monoisotopic Mass: 225.11536411
• SMILES: c1ccc(cc1)C/C(=N\O)/Cc1ccccc1
• Canonical SMILES: O/N=C(\Cc1ccccc1)/Cc1ccccc1
• InChI: InChI=1S/C15H15NO/c17-16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10,17H,11-12H2
• InChIKey: SXEBLVKLMOIGER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-diphenylpropan-2-ylidene)hydroxylamine
• IUPAC Traditional name: N-(1,3-diphenylpropan-2-ylidene)hydroxylamine
• Synonyms: 1,3-Diphenylacetone oxime; Dibenzyl ketoxime; 二苄基甲酮肟

Database IDs

• CAS Number: 1788-31-4
• EC Number: 217-251-9
• MDL Number: MFCD00015453
• Beilstein Number: 1965977

CALCULATED PROPERTIES

• Acid pKa: 9.843828
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.7840042
• LogD (pH = 7.4): 3.7828526
• Log P: 3.7844393
• Molar Refractivity: 69.4603 cm^3
• Polarizability: 26.904358 Å^3
• Polar Surface Area: 32.59 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122-124°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98+%

REFERENCES

• Intermediate for the preparation of cis-2-benzyl-3-phenylaziridine by reaction with lithium aluminum hydride: Org. Synth. Coll., 5, 83 (1973). For a review of this reaction, see: Org. Prep. Proced. Int., 1, 305 (1969):